Molecule FYI-1007211

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A

Molecule Summary:

ID: FYI-1007211
Names:
InChIKey: GVUSWMIMPJDWNW-UHFFFAOYSA-N
SMILES: O=C2CSc1cccnc1N2

Received at FYIcenter.com on: 2024-02-07

Molecule ID: FYI-1007211 Edit

Molecule Structure InChIKey: GVUSWMIMPJDWNW-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2CSc1cccnc1N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1007211
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 10  1  0  0  0  0
  1  7  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007211-3D
FYIcenter.com

 17 18  0     0  0  0  0  0  0999 V2000
   -0.7850   -1.9806   -0.2836 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2964    0.8779   -0.1816 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0240    1.0823   -0.0865 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2872    1.4838    0.0405 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5246   -0.8023   -0.0765 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2869    0.5697   -0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0940   -1.0524    0.5240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1936    0.3624    0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8510   -1.2408   -0.0486 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8876   -0.3201    0.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5556    1.0201    0.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9221   -1.0257    1.6052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0443   -1.5637    0.3419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0966    2.0837   -0.2426 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0914   -2.3000   -0.1012 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9219   -0.6431    0.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3247    1.7829    0.1366 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  2  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 14  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  2  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
M  END
$$$$

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2024-02-18, 708👍, 0💬